The phase behavior of confined water is a topic of intense interest because of its biological,geological,and technologic......

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Diamond-like carbon(DLC)films are widely used in the infrared protection window,but their ability of anti-laser damage i......

一维二氧化硅纳米材料是当前发光材料的研究热点之一,作为高效发光材料的候选材料,需要了解其电子结构参数和光谱数据。选取一维链......

以6-311 G(3df,3pd)为基组,采用B3LYP方法研究了不同外电场(-0.05～0.05 a.u.)对CHF=CHF基态分子的几何参数、总能量、电偶极矩、电......

对于晶体c轴平行于入射面的实验配置, 观察到了掺杂钾钠铌酸锶钡(KNSBN)晶体在外加电场作用下的各向异性自衍射现象; 同时给出了包......

振动光谱学是研究液体分子微观结构的强有力工具,利用振动光谱学探究外界条件作用下液体结构性质的变化是可行的。本文利用分子动......

Molecular dynamics simulations of liquid water were performed at 258 K and density of 1.0 g/cm3 under different strength......